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The role of cavity losses on non-adiabatic couplings and dynamics in polaritonic chemistry

revised on 07.10.2020, 20:39 and posted on 08.10.2020, 04:46 by Panayiota Antoniou, Figen Suchanek, James F. Varner, Jonathan Foley

We present a non-Hermitian formulation of the polaritonic structure of azobenzene strongly coupled to a photonic mode that explicitly accounts for the fleeting nature of the photon-molecule interaction. This formalism reveals that the polaritonic non-adiabatic couplings that facilitate cis-trans isomerization can be dramatically modified by photonic dissipation. We perform Fewest-Switches Surface Hopping dynamics on the surfaces that derive from our non-Hermitian formalism and find that the polaritonic isomerization yields are strongly suppressed for moderate dissipation rates, and that cavity-free isomerization dynamics are recovered under large dissipation rates. These findings highlight the important role that the finite

lifetime of photonic degrees of freedom play in polaritonic chemistry.


American Chemical Society Petroleum Research Fund

Research Corporation Cottrell Scholar Award


Email Address of Submitting Author


William Paterson University


United States

ORCID For Submitting Author


Declaration of Conflict of Interest

No conflict of interest.

Version Notes

Fourth Version